2-(3-methylpiperidin-1-yl)propan-1-amine

• ChemBase ID: 257902
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CC(CCC1)C)C(CN)C
• Canonical SMILES: NCC(N1CCCC(C1)C)C
• InChI: InChI=1S/C9H20N2/c1-8-4-3-5-11(7-8)9(2)6-10/h8-9H,3-7,10H2,1-2H3
• InChIKey: UZMIFBCNBIXTAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylpiperidin-1-yl)propan-1-amine
• IUPAC Traditional name: 2-(3-methylpiperidin-1-yl)propan-1-amine
• Synonyms: 2-(3-methylpiperidin-1-yl)propan-1-amine

Database IDs

• MDL Number: MFCD06446937
• PubChem SID: 164313812
• PubChem CID: 16641456

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8510573
• LogD (pH = 7.4): -1.7021668
• Log P: 1.0250996
• Molar Refractivity: 48.9703 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.58

Product Information

• Purity: 95%